Molecule

ID:108701

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-16(2)14-8-11-7-10-5-3-4-6-12(10)13(11)9-15(14)17(18)19/h3-6,8-9H,7H2,1-2H3
InChIKey
HUINNTZAYMOQQO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2c(cc1N(C)C)Cc1c2cccc1
Isomeric Smiles
CN(C)c1cc2c(cc1[N+](=O)[O-])c1ccccc1C2
Calculated Properties
JChem
Acid pKa
16.619894
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7870255
LogD (pH = 7.4)
3.7870471
Log P
3.7870474
Molar Refractivity
76.6267
Polarizability
28.992405
Polar Surface Area
49.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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